SCHEMBL15548265

SCHEMBL15548265

COc1cc(C#N)c(-c2cccc(C(=O)N3CCOCC3)c2)c(C#N)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.61
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.52
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
GLA P06280 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
LRRK2 Q5S007 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
NR1H2 P55055 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15535803 0.89 HPGD (0.55) ERN1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL15535960 0.81 ERN1 (0.53) ERN1
SCHEMBL15534938 0.77 ERN1 (0.48) ERN1HPGDPDCD1CD274
SCHEMBL12767042 0.76 ERN1 (1.00) ERN1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL15536667 0.75 MAOA (0.47) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL18587254 0.75 HPGD (0.56) ERN1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL29588105 0.75 HPGD (0.56) ERN1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL18587267 0.74 RAB9A (0.48) ERN1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL15535306 0.72 ERN1 (0.48) ERN1
SCHEMBL12082341 0.72 CNR1 (0.50) KMT2AMEN1L3MBTL1HPGDGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US disclosed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US disclosed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885KMT2A 223/4885MEN1 2097/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885KMT2A 223/4885MEN1 2097/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885KMT2A 223/4885MEN1 2097/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885KMT2A 223/4885MEN1 2097/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885KMT2A 223/4885MEN1 2097/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.